N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine

C14H20N2 — CID 84622421

IUPACN-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
SMILESCNCc1[nH]c2ccc(C(C)C)cc2c1C
InChIInChI=1S/C14H20N2/c1-9(2)11-5-6-13-12(7-11)10(3)14(16-13)8-15-4/h5-7,9,15-16H,8H2,1-4H3
InChIKeyLFQHOCTWWYGAHU-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.32
Rot. Bonds3

About N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine

N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine (PubChem CID 84622421) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
PubChem CID84622421
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
SMILESCNCc1[nH]c2ccc(C(C)C)cc2c1C
InChIInChI=1S/C14H20N2/c1-9(2)11-5-6-13-12(7-11)10(3)14(16-13)8-15-4/h5-7,9,15-16H,8H2,1-4H3
InChIKeyLFQHOCTWWYGAHU-UHFFFAOYSA-N
XLogP3.32
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine (CID 84622421) is N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine is CNCc1[nH]c2ccc(C(C)C)cc2c1C.
What is the InChIKey of N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine?
The InChIKey is LFQHOCTWWYGAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(2)11-5-6-13-12(7-11)10(3)14(16-13)8-15-4/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine?
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine has a molecular weight of 216.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 84622421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).